UCSF

ZINC34961818

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.32 7.47 -45.96 2 4 -1 81 311.442 14
Lo Low (pH 4.5-6) 4.32 5.5 -7.7 3 4 0 78 312.45 14

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )